smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=NNC([S-])=Nc1ccccc1C)c1cc2ccccc2o1	ZINC000013865467	518458821	/nfs/dbraw/zinc/45/88/21/518458821.db2.gz	GRIGWBIWQDASMQ-DEDYPNTBSA-N	-1	3	323.421	4.863	3	30		DJEFHM
C=C[C@@]1(C)CC=C2[C@@H](CC[C@H]3[C@](C)(C(=O)N[O-])CCC[C@@]23C)C1	ZINC000027641797	182484228	/nfs/dbraw/zinc/48/42/28/182484228.db2.gz	HEFVETXYFDNJSY-AZBIJLPYSA-N	-1	3	317.473	4.627	1	30		DJEFHM
CCCc1cc([O-])c(Oc2ccc(C#N)cc2Cl)c(OC)c1	ZINC000064553699	184299653	/nfs/dbraw/zinc/29/96/53/184299653.db2.gz	NLHMRLAGLBHTTG-UHFFFAOYSA-N	-1	3	317.772	4.671	1	30		DJEFHM
COc1cc(C)c(Cl)c(C)c1C(=O)/C=C/c1ccccc1[O-]	ZINC000096927833	185392095	/nfs/dbraw/zinc/39/20/95/185392095.db2.gz	HCFFBQJGVHPVAS-CMDGGOBGSA-N	-1	3	316.784	4.567	1	30		DJEFHM
Cc1ccc(Oc2ccccc2/C(=N/[O-])NC2CCCCC2)cc1	ZINC000072184831	191072246	/nfs/dbraw/zinc/07/22/46/191072246.db2.gz	APSNZRFJEIUVBQ-UHFFFAOYSA-N	-1	3	324.424	4.845	1	30		DJEFHM
CCCC[C@]12Cc3cc([O-])ccc3C1=C(c1ccco1)C(=O)CC2	ZINC000034633768	581094573	/nfs/dbraw/zinc/09/45/73/581094573.db2.gz	ZUMQFABIHNHCCM-NRFANRHFSA-N	-1	3	322.404	4.992	1	30		DJEFHM
[O-]c1ccc(Cl)cc1/C=N/c1ccccc1Br	ZINC000013130836	181831507	/nfs/dbraw/zinc/83/15/07/181831507.db2.gz	ZYHPAHDJDNOOHD-LZYBPNLTSA-N	-1	3	310.578	4.559	1	30		DJEFHM
CC(C)=CCC/C(C)=C/CC/C(C)=C/CSCC(=O)N[O-]	ZINC000149194405	186048495	/nfs/dbraw/zinc/04/84/95/186048495.db2.gz	JIDDUBIQYGRZDG-XGGJEREUSA-N	-1	3	311.491	4.644	1	30		DJEFHM
CC(C)Cc1ccc([C@H](C)C(=O)N([O-])C2CCCCC2)cc1	ZINC000028095521	182508980	/nfs/dbraw/zinc/50/89/80/182508980.db2.gz	SEIYYBNFKPOMGF-HNNXBMFYSA-N	-1	3	303.446	4.539	1	30		DJEFHM
CC(C)c1cc2c(c([O-])c1O)C1=CC(=O)CC(C)(C)[C@@]1(C)C=C2	ZINC000014683924	560224337	/nfs/dbraw/zinc/22/43/37/560224337.db2.gz	BTLSNWAITRCXPG-FQEVSTJZSA-N	-1	3	312.409	4.637	1	30	biogenic,in-vitro	DJEFHM
C=CC(C)(C)c1cc2cc(-c3ccc(O)cc3OC)oc2cc1[O-]	ZINC000013380183	290935884	/nfs/dbraw/zinc/93/58/84/290935884.db2.gz	XPOHPQRMFCBMHO-UHFFFAOYSA-N	-1	3	324.376	4.983	1	30	biogenic,in-vitro	DJEFHM
N#Cc1cc(-c2ccc3c(c2)C2(CCCCC2)C(=S)[N-]3)co1	ZINC000013488909	581100532	/nfs/dbraw/zinc/10/05/32/581100532.db2.gz	XIWRBCXODVFCAE-UHFFFAOYSA-N	-1	3	308.406	4.773	1	30		DJEFHM
CC[C@@H](O)CCCCC/C=C\CCCCCCCC(=O)N[O-]	ZINC000064539738	184298961	/nfs/dbraw/zinc/29/89/61/184298961.db2.gz	UTMMQDZFCPILNI-MAVJXHJTSA-N	-1	3	313.482	4.500	1	30		DJEFHM
CCCC[C@@]12Cc3cc([O-])ccc3C1=C(c1ccco1)C(=O)CC2	ZINC000034633769	581094719	/nfs/dbraw/zinc/09/47/19/581094719.db2.gz	ZUMQFABIHNHCCM-OAQYLSRUSA-N	-1	3	322.404	4.992	1	30		DJEFHM
[O-]/N=C(/Nc1ccc(F)cc1)c1ccccc1-c1ccccc1	ZINC000072182635	191072732	/nfs/dbraw/zinc/07/27/32/191072732.db2.gz	POPNISUCQUYUDA-UHFFFAOYSA-N	-1	3	306.340	4.741	1	30		DJEFHM
CCCCCCCCCCCOC(=O)c1ccc([O-])c(O)c1	ZINC000043366271	183357115	/nfs/dbraw/zinc/35/71/15/183357115.db2.gz	PLBNOSOOKBZZGW-UHFFFAOYSA-N	-1	3	308.418	4.785	1	30		DJEFHM